| 中文别名 | Rofecoxib(MSDS,162011-90-7) |
| 英文别名 | Rofecoxib;Rofecoxib: |
| CAS号 | 162011-90-7 |
| SMILES | CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 |
| Inchi | InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InchiKey | RZJQGNCSTQAWON-UHFFFAOYSA-N |
| 分子式 Formula | C17H14O4S |
| 分子量 Molecular Weight | 314.36 |
| 闪点 FP | 113 ℃ |
| 沸点 Boiling point | 153℃ |
| Polarizability极化度 | 32.8±0.5 10-24cm3 |
| 密度 Density | 1.0670 |
| 溶解度Solubility | Soluble in water (<1 mg/ml at 25 ℃), DMSO (63 mg/ml at 25 ℃), methanol (slightly), DMF, and ethanol (<1 mg/ml at 25 ℃). |
| 储藏条件 Storage conditions | 储存温度 2-8℃ |
